SCHEMBL11567248

SCHEMBL11567248

COCC1(Nc2ccc(OC)cc2)CCN(CCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.55
NPFFR1 Q9GZQ6 1/20 0.53
NPFFR2 Q9Y5X5 1/20 0.53
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
ADAM17 P78536 1/20 0.51
DRD2 P14416 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11566486 0.95 SIGMAR1 (0.55) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
SCHEMBL9148987 0.92 NPFFR1 (0.61) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
Hydrochloric Acid SCHEMBL11565432 0.90 NPFFR1 (0.60) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
SCHEMBL11566761 0.89 NPFFR1 (0.54) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
SCHEMBL11563945 0.88 NPFFR1 (0.53) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
SCHEMBL11568096 0.88 SIGMAR1 (0.55) SIGMAR1NPFFR1NPFFR2OPRM1SMN1; SMN2
SCHEMBL11564641 0.84 NPFFR1 (0.53) SIGMAR1NPFFR1NPFFR2SMN1; SMN2
SCHEMBL11566955 0.84 NPFFR1 (0.53) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
SCHEMBL11567994 0.82 HRH3 (0.52) SIGMAR1NPFFR1NPFFR2OPRM1OPRD1
SCHEMBL3167579 0.79 NPFFR1 (0.60) SIGMAR1NPFFR1NPFFR2OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed